SCHEMBL4990679

SCHEMBL4990679

CC(CC(CN)C(=O)O)c1c(F)cc(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
PTGS1 P23219 3/20 0.30
MEN1 O00255 2/20 0.30
PTGS2 P35354 2/20 0.30
KMT2A Q03164 2/20 0.30
GABRR1 P24046 2/20 0.30
FABP2 P12104 1/20 0.30
TSHR P16473 1/20 0.30
AKR1C4 P17516 1/20 0.30
ADRA2B P18089 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2C P28335 1/20 0.30
DRD3 P35462 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
LMNA P02545 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4986059 0.91 MME (0.33) MMESLC1A3SLC1A2PTGS1MEN1
SCHEMBL4984620 0.86 GABRR1 (0.32) MMEGABRR1
SCHEMBL4990789 0.85 PTGES (0.33) MMESLC1A3SLC1A2PTGS1MEN1
SCHEMBL4987451 0.84 SLC1A3 (0.35) SLC1A3SLC1A2GABRR1
SCHEMBL4983231 0.84 MME (0.34) MMESLC1A3SLC1A2
SCHEMBL4990467 0.83 AKR1C3 (0.33) MMESLC1A3SLC1A2AKR1C3AKR1C2
SCHEMBL4989925 0.82 MME (0.31) MMESLC1A3SLC1A2PTGS1MEN1
SCHEMBL4986997 0.79 MME (0.32) MMESLC1A3SLC1A2PTGS1MEN1
SCHEMBL4987994 0.79 CES2 (0.37) SLC1A3SLC1A2PTGS1MEN1PTGS2
SCHEMBL4986305 0.78 CES2 (0.40) MME

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 MME 2393/4885SLC1A3 118/4885SLC1A2 57/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MME 2286/4885SLC1A3 128/4885SLC1A2 42/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MME 2084/4885SLC1A3 104/4885SLC1A2 29/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.